Molecule
ID:97975
General Information
Molecular Formula
C₇H₅F₉O₂
Molecular Mass
292.0990288
Exact Mass
292.01458338
Charge
0
InChI
InChI=1S/C7H5F9O2/c8-4(9,2-1-3(17)18)5(10,11)6(12,13)7(14,15)16/h1-2H2,(H,17,18)
InChIKey
QWHCZVLZUPZGSI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
1.8983222
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.25964716
LogD (pH = 7.4)
-0.52135843
Log P
3.003505
Molar Refractivity
37.0725
Polarizability
14.15664
Polar Surface Area
37.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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